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Chemical structure of Dibenzoyl Thiamine (Bentiamine)

GC30576

Dibenzoyl Thiamine (Bentiamine)

Also known as [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-benzoylsulfanylpent-3-enyl] benzoate

Dibenzoyl Thiamine (Bentiamine) (Bentiamine), a derivative of thiamine, is rapidly absorbed into the body and converted to thiamine

ChemicalCAS299-88-7MW490.57FormulaC26H26N4O4S
CAS number
299-88-7
Molecular weight
490.57
Formula
C26H26N4O4S
Solubility
DMSO : 50 mg/mL (101·92 mM; Need ultrasonic)
InChIKey
AZJUFRDUYTYIHV-UHFFFAOYSA-N
Catalogue number
GC30576
Brand
GLPBIO
Computed properties PubChem CID 134538 · XLogP 3.8 · TPSA 141 Ų · H-bond donors 1
XLogP
3.8
TPSA
141 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
35

SMILES CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C

Computed descriptors from PubChem (CID 134538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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